N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine

C16H23NO — CID 114107711

IUPACN-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCCC1CC1NC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO/c1-3-11-10-16(11)17-14-8-13(9-14)12-4-6-15(18-2)7-5-12/h4-7,11,13-14,16-17H,3,8-10H2,1-2H3
InChIKeyJBLXOXSMOXFFTR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.33
Rot. Bonds5

About N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine

N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine (PubChem CID 114107711) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
PubChem CID114107711
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCCC1CC1NC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO/c1-3-11-10-16(11)17-14-8-13(9-14)12-4-6-15(18-2)7-5-12/h4-7,11,13-14,16-17H,3,8-10H2,1-2H3
InChIKeyJBLXOXSMOXFFTR-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
CID 62962017
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 43632787
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633885
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine (CID 114107711) is N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine is CCC1CC1NC1CC(c2ccc(OC)cc2)C1.
What is the InChIKey of N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is JBLXOXSMOXFFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-11-10-16(11)17-14-8-13(9-14)12-4-6-15(18-2)7-5-12/h4-7,11,13-14,16-17H,3,8-10H2,1-2H3.
What are the key properties of N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine?
N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 114107711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).